Murcko scaffold

N-{4,6-Dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-4-(piperidine-1-sulfonyl)benzamide scaffold

16 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 30
Chemicals: 16
With full pages: 3

Scaffold SMILES

O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(S(=O)(=O)N2CCCCC2)cc1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold Open the N-{4,6-Dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-4-(piperidine-1-sulfonyl)benzamide page

Murcko scaffold O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(S(=O)(=O)N2CCCCC2)cc1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 16 of 16 chemicals

N-([1,3]Dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)-N-(2-(diethylamino)ethyl)-4-(piperidin-1-ylsulfonyl)benzamide hydrochloride

CAS 1052530-94-5C₂₆H₃₃ClN₄O₅S₂

$N-{4,6-Dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-4-(piperidine-1-sulfonyl)benzamide chemical structure, C20H19N3O5S2, CAS 892855-71-9$

N-{4,6-Dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-4-(piperidine-1-sulfonyl)benzamide

CAS 892855-71-9C₂₀H₁₉N₃O₅S₂

$N-{4,6-Dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide chemical structure, C21H21N3O5S2, CAS 892845-71-5$

N-{4,6-Dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide

CAS 892845-71-5C₂₁H₂₁N₃O₅S₂

N-([1,3]Dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)-N-(3-(dimethylamino)propyl)-4-((2-methylpiperidin-1-yl)sulfonyl)benzamide hydrochloride

CAS 1135200-77-9C₂₆H₃₃ClN₄O₅S₂

$N-[3-(Dimethylamino)propyl]-N-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-4-(piperidine-1-sulfonyl)benzamide hydrochloride chemical structure, C25H31ClN4O5S2, CAS 1135210-54-6$

N-[3-(Dimethylamino)propyl]-N-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-4-(piperidine-1-sulfonyl)benzamide hydrochloride

CAS 1135210-54-6C₂₅H₃₁ClN₄O₅S₂

N-([1,3]Dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)-N-(3-(dimethylamino)propyl)-4-((2-ethylpiperidin-1-yl)sulfonyl)benzamide hydrochloride

CAS 1135236-81-5C₂₇H₃₅ClN₄O₅S₂

$N-[(11E)-12-Methyl-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-11-ylidene]-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide chemical structure, C22H23N3O5S2, CAS 1321795-53-2$

N-[(11E)-12-Methyl-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-11-ylidene]-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide

CAS 1321795-53-2C₂₂H₂₃N₃O₅S₂

$N-[(11E)-12-Methyl-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-11-ylidene]-4-(piperidine-1-sulfonyl)benzamide chemical structure, C21H21N3O5S2, CAS 1321692-40-3$

N-[(11E)-12-Methyl-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-11-ylidene]-4-(piperidine-1-sulfonyl)benzamide

CAS 1321692-40-3C₂₁H₂₁N₃O₅S₂

$4-[(3,5-Dimethylpiperidin-1-yl)sulfonyl]-N-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}benzamide chemical structure, C22H23N3O5S2, CAS 892842-08-9$

4-[(3,5-Dimethylpiperidin-1-yl)sulfonyl]-N-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}benzamide

CAS 892842-08-9C₂₂H₂₃N₃O₅S₂

$N-[2-(Dimethylamino)ethyl]-N-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}-4-(piperidine-1-sulfonyl)benzamide hydrochloride chemical structure, C24H29ClN4O5S2, CAS 1322014-34-5$